CID 107857

Icr 372

Structural Information

Molecular Formula
C18H20Cl2N4O
SMILES
COC1=NC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCNCCCl
InChI
InChI=1S/C18H20Cl2N4O/c1-25-16-6-5-14-18(24-16)17(22-9-2-8-21-10-7-19)13-4-3-12(20)11-15(13)23-14/h3-6,11,21H,2,7-10H2,1H3,(H,22,23)
InChIKey
VIOBPYITUPAFAV-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N'-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.1014 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.10868 184.8
[M+Na]+ 401.09062 194.8
[M-H]- 377.09412 186.5
[M+NH4]+ 396.13522 197.4
[M+K]+ 417.06456 186.9
[M+H-H2O]+ 361.09866 176.2
[M+HCOO]- 423.09960 197.0
[M+CH3COO]- 437.11525 194.3
[M+Na-2H]- 399.07607 192.3
[M]+ 378.10085 192.7
[M]- 378.10195 192.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.